SCHEMBL6232959

SCHEMBL6232959

C#C[C@H]1C[C@@H](O)CN1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.40
PIK3CD O00329 4/20 0.35
DPP4 P27487 4/20 0.31
DPP8 Q6V1X1 4/20 0.31
DPP9 Q86TI2 4/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31298446 1.00 ATM (0.40) ATMPIK3CDDPP4DPP8DPP9
SCHEMBL6237925 1.00 ATM (0.40) ATMPIK3CDDPP4DPP8DPP9
SCHEMBL31298379 1.00 ATM (0.40) ATMPIK3CDDPP4DPP8DPP9
SCHEMBL6238139 1.00 ATM (0.40) ATMPIK3CDDPP4DPP8DPP9
SCHEMBL6235358 1.00 ATM (0.40) ATMPIK3CDDPP4DPP8DPP9
SCHEMBL31234357 0.81 PIK3CD (0.46) ATMPIK3CDDPP4DPP8DPP9
SCHEMBL27179237 0.81 PIK3CD (0.46) ATMPIK3CDDPP4DPP8DPP9
SCHEMBL1155175 0.80 ATM (0.40) ATMPIK3CDDPP4DPP8DPP9
SCHEMBL25187601 0.78 DPP4 (0.39) DPP4DPP8DPP9
SCHEMBL14655277 0.78 GAA (0.32)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005007083-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-01-27 WO disclosed